Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.54 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3746351 | 0.89 | CYP2D6 (0.67) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL3745582 | 0.86 | CHRM1 (0.67) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL1835801 | 0.86 | CHRM1 (0.53) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| Hydrochloric Acid SCHEMBL1836997 | 0.85 | CHRM1 (0.52) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL3636721 | 0.84 | CHRM1 (0.54) | CHRM1PMP22KDM4EALDH1A1NPSR1 | |
| SCHEMBL1835330 | 0.84 | KDM4E (0.43) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL3635266 | 0.83 | OPRM1 (0.69) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL3665754 | 0.82 | CYP2D6 (0.57) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL1835328 | 0.79 | BCHE (0.38) | CYP2D6CYP2C9CHRM1PMP22KDM4E | |
| SCHEMBL3806337 | 0.78 | OPRM1 (0.70) | CYP2D6CYP2C9CHRM1PMP22OPRM1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155676-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | Commissariat à l'Energie Atomique (FR) | 2010-02-24 | — | — | EP | claimed |
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | WO | claimed |